compress PSF into INTER

From: Cruz-Chu Eduardo Roberto (eduardo.cruz_at_mavt.ethz.ch)
Date: Wed Jun 06 2012 - 13:37:34 CDT

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Hi;

I am trying to run a 6 million atom system. For that, I need to compress the PSF file into a INTER file. The NAMD wiki provide some brief explanation.

http://www.ks.uiuc.edu/Research/namd/wiki/index.cgi?NamdMemoryReduction

that is "b) add a field "genCompressedPsf on" in the configuration file".

well, I did it using NAMD 2.8 and also NAMD 2.9. I also compiled NAMD with --with-memopt flag, and no success.

Does anyone has an example?, a namd configuration file I can use as guide?.

Below, I am attaching my namd configuration, the one that did not work.

Any help, it would be really appreciated.

Regards;

Eduardo

• application/octet-stream attachment: MinPSF.namd

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